5-fluoro-1,3-dihydro-2H-indol-2-one

HCID 3731012CAS 56341-41-4

Grundinformationen

Standard-SMILES
O=C1Cc2cc(F)ccc2N1
InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N
Summenformel
C8H6FNO
Durchschnittliche Molmasse
151,14 g/mol
Monoisotopische Masse
151,04334198

Namen und Bezeichner

Bevorzugter Name
5-fluoro-1,3-dihydro-2H-indol-2-one
IUPAC
5-fluoro-1,3-dihydroindol-2-one
Englischer Name
5-Fluoro-2-oxindole
Summenformel
C8H6FNO
Molmasse
151.14

Namen und Synonyme

5-fluoro-1,3-dihydroindol-2-one5-fluoro-1,3-dihydro-2H-indol-2-oneRefChem:535646638-803-95-Fluorooxindole56341-41-45-Fluoro-2-oxindole5-fluoroindolin-2-one5-fluoro-2,3-dihydro-1H-indol-2-one2H-Indol-2-one, 5-fluoro-1,3-dihydro-5-Fluoro-2-oxoindolineMFCD02179598
Weitere Namen anzeigen
5-FLUORO-2-OXYINDOLEuorooxindoL5-FLUROOXINDOLE5-Fluoroindolinone5-Fluorooxindole98%
4EW64J5JHCCHEMBL61480025-Fluoranyl-1,3-dihydroindol-2-oneFLUOROOXINDOLEOxindole derivative5-Fluoro-2-indolinone5-Fluoro-1,3-dihydro-indol-2-one5-Fluorooxindole (5-Fluoro-1,3-dihydro-2H-indol-2-one)

Datenbank-Bezeichner

CAS
56341-41-4
PubChem CID
3731012
DTXSID
DTXSID40395649
ChEMBL
CHEMBL6148002
UNII
4EW64J5JHC
EC Number
638-803-9
Nikkaji
J416.476H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
29,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
143 · 143-147 °C (lit.)
Siedepunkt
307.2 · 307.2±42.0 °C(Predicted)
Dichte
1.311 · 1.311±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
pka
12.99 · 12.99±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.7% (1 of 37) of reports.

Danger

H301 (78.4%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (18.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (18.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 37 reports by companies.;There are 3 notifications provided by 36 of 37 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (78.4%);Skin Irrit. 2 (18.9%);Eye Irrit. 2A (18.9%);STOT SE 3 (18.9%)

Sicherheitsdaten

wgk
3
hs_code
29339900
risk_code
36/37/38-34
hazard_code
Xi,C
hazard_note
Irritant/Keep Cold
safety_code
22-24/25-45-36/37/39-27-26

Chemie und Industrie

Anwendungen

Verwenden5-Fluoro-2-oxindole (cas# 56341-41-4) is a compound useful in organic synthesis.

Darstellung · 1 Eintrag

synthetischesynthesis of 5-fluoro-2-oxindole: 4-fluoroaniline was used as the starting material, reacted with chloral hydrate and hydroxylamine hydrochloride to generate 4-fluoroisonitrosoacetanilide, and then cyclized under the action of concentrated sulfuric acid to form the compound 5-fluoroisatin was finally obtained by wolff-kishner-huang minlon reduction to obtain 5-fluoro-2-oxindole with a total yield of 66%.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海宇之诚医药科技有限公司13361818591 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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